Hello I need help on this problem (especially for c and d) So far, I have a. D4h

Question

Hello I need help on this problem (especially for c and d)

So far, I have

a. D4h

b. A2u+B2u+Eg

Consider the molecule cyclo-butadiene a. b. c. (4 pts) Determine the point group of this molecule (24 pts) Determine the irreducible representation of the four p, atomic orbitals (designate these as (40 pts) Determine the wavefunctions (molecular orbitals) forming the irreducible representations. Hint use linear combinations of p, atomic orbitals (e.g. 1 + 2) in the case of two wavefunctions having the same representotion. ular orbitals) forming the ir d. (12 pts) Determine which transitions (represented as symmetry species, eg. AxB), were x is the transition dipole moment in the x -direction) are allowed.

Explanation / Answer

QUESTION A

To determine the point group, first see if there are Cn axes. The axis with the highest order is C4, and there are 4 C2 axes perpendicular. Thus it belongs to a D group. As there is a hrizontal mirror plane it is D4h.

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